REMARK  Name = BDB046519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.524  -0.107   0.116  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.346   0.345   1.456  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.444   1.387   1.718  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.282   1.892   3.011  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.004   1.350   4.070  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.896   0.310   3.830  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.304   2.010   0.757  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.452   1.260  -0.439  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.070  -0.186   2.533  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.759   0.448  -0.904  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.971   0.252  -2.102  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.601  -1.022  -0.251  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.932  -0.294  -0.456  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.051  -1.271  -0.820  0.00  0.00    +0.007 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.375  -0.538  -1.056  0.00  0.00    +0.075 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.824  -0.814  -1.634  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1        7.503  -1.509  -1.380  0.00  0.00    +0.246 C 
ATOM     18  F   LIG    1        7.658  -2.383  -0.353  0.00  0.00    -0.206 F 
ATOM     19  F   LIG    1        7.176  -2.243  -2.473  0.00  0.00    -0.206 F 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -1.673   0.337  -0.338  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.956   1.117  -0.066  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.031   0.177  -0.037  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.302   0.668   0.099  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -6.333  -0.286   0.005  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -7.669   0.127   0.131  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.977   1.468   0.351  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.955   2.407   0.450  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.621   2.010   0.325  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.020  -1.748  -0.227  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.406  -2.047  -1.570  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -4.464  -2.798  -1.776  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.048  -1.476  -2.610  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.532  -1.766  -3.389  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 12